(-)-englerin A

Ligand id: 8372

Name: (-)-englerin A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 82.06
Molecular weight 442.24
XLogP 6.65
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Akbulut Y, Gaunt HJ, Muraki K, Ludlow MJ, Amer MS, Bruns A, Vasudev NS, Radtke L, Willot M, Hahn S et al.. (2015)
(-)-Englerin A is a potent and selective activator of TRPC4 and TRPC5 calcium channels.
Angew. Chem. Int. Ed. Engl., 54 (12): 3787-91. [PMID:25707820]
2. Molawi K, Delpont N, Echavarren AM. (2010)
Enantioselective synthesis of (-)-englerins A and B.
Angew. Chem. Int. Ed. Engl., 49 (20): 3517-9. [PMID:20544903]
3. Radtke L, Willot M, Sun H, Ziegler S, Sauerland S, Strohmann C, Fröhlich R, Habenberger P, Waldmann H, Christmann M. (2011)
Total synthesis and biological evaluation of (-)-englerin A and B: synthesis of analogues with improved activity profile.
Angew. Chem. Int. Ed. Engl., 50 (17): 3998-4002. [PMID:21472928]
4. Ratnayake R, Covell D, Ransom TT, Gustafson KR, Beutler JA. (2009)
Englerin A, a selective inhibitor of renal cancer cell growth, from Phyllanthus engleri.
Org. Lett., 11 (1): 57-60. [PMID:19061394]
5. Zhou Q, Chen X, Ma D. (2010)
Asymmetric, protecting-group-free total synthesis of (-)-englerin A.
Angew. Chem. Int. Ed. Engl., 49 (20): 3513-6. [PMID:20544902]